SMILES:
Cc1ccc(C(=O)c2cc(CC(=O)O)on2)cc1Molecular Processing
Molecular formula
C13H11NO4
Molecular weight
245.23
Exact mass
245.0688
XLogP
1.84
TPSA
80.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
62.45
Supplementary Information
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